N-ethylcyclohexa-2,4-dien-1-imine

C8H11N — CID 70596285

IUPACN-ethylcyclohexa-2,4-dien-1-imine
SMILESCC/N=C1/C=CC=CC1
InChIInChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-6H,2,7H2,1H3/b9-8-
InChIKeyUWQSDULTFRTQBM-HJWRWDBZSA-N
MW121.18 g/mol
LogP1.96
Rot. Bonds1

About N-ethylcyclohexa-2,4-dien-1-imine

N-ethylcyclohexa-2,4-dien-1-imine (PubChem CID 70596285) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-ethylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-ethylcyclohexa-2,4-dien-1-imine
PubChem CID70596285
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-ethylcyclohexa-2,4-dien-1-imine
SMILESCC/N=C1/C=CC=CC1
InChIInChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-6H,2,7H2,1H3/b9-8-
InChIKeyUWQSDULTFRTQBM-HJWRWDBZSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylcyclohexa-2,4-dien-1-imine?
The IUPAC name of N-ethylcyclohexa-2,4-dien-1-imine (CID 70596285) is N-ethylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-ethylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-ethylcyclohexa-2,4-dien-1-imine is CC/N=C1/C=CC=CC1.
What is the InChIKey of N-ethylcyclohexa-2,4-dien-1-imine?
The InChIKey is UWQSDULTFRTQBM-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-6H,2,7H2,1H3/b9-8-.
What are the key properties of N-ethylcyclohexa-2,4-dien-1-imine?
N-ethylcyclohexa-2,4-dien-1-imine has a molecular weight of 121.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 70596285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).